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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H36O4
Molecular Weight 316.476
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AGGRECERIDE A

SMILES

CC[C@H](C)CCCCCCCCCCC(=O)OC[C@H](O)CO

InChI

InChIKey=HLQJYDUSPITBCP-DLBZAZTESA-N
InChI=1S/C18H36O4/c1-3-16(2)12-10-8-6-4-5-7-9-11-13-18(21)22-15-17(20)14-19/h16-17,19-20H,3-15H2,1-2H3/t16-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H36O4
Molecular Weight 316.476
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:35:05 GMT 2023
Edited
by admin
on Sat Dec 16 11:35:05 GMT 2023
Record UNII
S3L0ID00Y9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AGGRECERIDE A
Common Name English
TETRADECANOIC ACID, 12-METHYL-, 2,3-DIHYDROXYPROPYL ESTER, (R-(R*,S*))-
Systematic Name English
TETRADECANOIC ACID, 12-METHYL-, (2R)-2,3-DIHYDROXYPROPYL ESTER, (12S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50172766
Created by admin on Sat Dec 16 11:35:05 GMT 2023 , Edited by admin on Sat Dec 16 11:35:05 GMT 2023
PRIMARY
PUBCHEM
167795
Created by admin on Sat Dec 16 11:35:05 GMT 2023 , Edited by admin on Sat Dec 16 11:35:05 GMT 2023
PRIMARY
FDA UNII
S3L0ID00Y9
Created by admin on Sat Dec 16 11:35:05 GMT 2023 , Edited by admin on Sat Dec 16 11:35:05 GMT 2023
PRIMARY
CAS
19207-26-2
Created by admin on Sat Dec 16 11:35:05 GMT 2023 , Edited by admin on Sat Dec 16 11:35:05 GMT 2023
PRIMARY